(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine

C15H15Br2NO — CID 102946671

IUPAC(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1ccccc1Br
InChIInChI=1S/C15H15Br2NO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyZCDJCXHZAYLVQX-SNVBAGLBSA-N
MW385.10 g/mol
LogP4.81
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine (PubChem CID 102946671) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
PubChem CID102946671
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCc1ccccc1Br
InChIInChI=1S/C15H15Br2NO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyZCDJCXHZAYLVQX-SNVBAGLBSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
(1S)-1-[4-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 102947145
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
(1S)-1-[4-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 102947100
(1R)-1-[4-bromo-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103046500
(1S)-1-[4-bromo-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanamine
CID 106861964
1-[4-bromo-2-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 102946185
(1R)-1-[4-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 102946837
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
1-[4-bromo-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 102946440
1-[2-[(2-bromophenyl)methoxy]phenyl]propan-2-amine
CID 54930668

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine (CID 102946671) is (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCc1ccccc1Br.
What is the InChIKey of (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine?
The InChIKey is ZCDJCXHZAYLVQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10H,9,18H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine has a molecular weight of 385.10 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).